Geometry & MOs

Info

ID:

439815

PubChem CID:

135229658

Reduced:

NOH35C57 (1)

Stoich.:

ABC35D57 (1)

Weight, g/mol:

1540.573633

ΔHf, kcal/mol:

208.64

Dipole, Da:

1.73

IP(EA), eV:

 -8.24(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-naphthalen-1-yl-1-N,1-N-diphenyl-4-N-[6-[5-(4-phenyl-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylanilino)naphthalen-2-yl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-4'-yl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations